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107401-57-0 | 2-Benzothiazoleethanol,alpha-(1-methylethyl)-(9CI)
CAS No: 107401-57-0 Catalog No: AG009KHY MDL No:
Product Description
Catalog Number:
AG009KHY
Chemical Name:
2-Benzothiazoleethanol,alpha-(1-methylethyl)-(9CI)
CAS Number:
107401-57-0
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
InChI:
InChI=1S/C12H15NOS/c1-8(2)10(14)7-12-13-9-5-3-4-6-11(9)15-12/h3-6,8,10,14H,7H2,1-2H3
InChI Key:
QYDGONXPYDJFKR-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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